Information card for entry 8106365

Structure parameters

• Formula: C14 H10 Br2 Cl2 Co O6
• Calculated formula: C14 H10 Br2 Cl2 Co O6
• SMILES: [Co]12(Oc3c(Br)cc(cc3C=[O]1)Cl)([O]=Cc1c(O2)c(Br)cc(Cl)c1)([OH2])[OH2]
• Title of publication: Crystal structure of diaqua-bis(2-bromo-4-chloro-6-formylphenolato-κ2 O,O′)cobalt(II), C16H16Cl2CrN3O7
• Authors of publication: Wu, Qiong; Tang, Yafang; Xu, Li; Lei, Yuan; Liu, Ting; Jiang, Fang; Zi, Qiaoli; Qiao, Yongfeng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 967 - 968
• a: 7.578 ± 0.002 Å
• b: 27.729 ± 0.011 Å
• c: 8.634 ± 0.002 Å
• α: 90°
• β: 101.36 ± 0.03°
• γ: 90°
• Cell volume: 1778.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No